General Information of the Compound
| Compound ID |
CP0723588
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| Compound Name |
MTWEEWDKKIEEYTKKIEELIKKS
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| Structure |
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| Formula |
C141H222N32O43S
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| Molecular Weight |
3085.575
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O
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| InChI |
InChI=1S/C141H222N32O43S/c1-12-74(6)113(169-129(203)92(39-23-29-62-146)152-119(193)88(35-19-25-58-142)154-133(207)104(69-112(190)191)166-132(206)102(67-80-70-149-86-33-17-15-31-83(80)86)165-128(202)97(48-54-109(184)185)155-123(197)94(45-51-106(178)179)158-131(205)103(68-81-71-150-87-34-18-16-32-84(81)87)167-140(214)116(77(9)175)172-118(192)85(148)57-64-217-11)137(211)162-99(50-56-111(188)189)125(199)157-96(47-53-108(182)183)127(201)164-101(66-79-41-43-82(177)44-42-79)135(209)173-117(78(10)176)139(213)160-91(38-22-28-61-145)121(195)153-93(40-24-30-63-147)130(204)170-114(75(7)13-2)138(212)161-98(49-55-110(186)187)124(198)156-95(46-52-107(180)181)126(200)163-100(65-73(4)5)134(208)171-115(76(8)14-3)136(210)159-90(37-21-27-60-144)120(194)151-89(36-20-26-59-143)122(196)168-105(72-174)141(215)216/h15-18,31-34,41-44,70-71,73-78,85,88-105,113-117,149-150,174-177H,12-14,19-30,35-40,45-69,72,142-148H2,1-11H3,(H,151,194)(H,152,193)(H,153,195)(H,154,207)(H,155,197)(H,156,198)(H,157,199)(H,158,205)(H,159,210)(H,160,213)(H,161,212)(H,162,211)(H,163,200)(H,164,201)(H,165,202)(H,166,206)(H,167,214)(H,168,196)(H,169,203)(H,170,204)(H,171,208)(H,172,192)(H,173,209)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,188,189)(H,190,191)(H,215,216)/t74-,75-,76-,77+,78+,85-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,113-,114-,115-,116-,117-/m0/s1
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| InChIKey |
CZIOQBGIMPWRFL-MWOCQOIESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound